tert-butyl N-[(2S)-1-[[(2S)-5-[[azanyl-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]amino]-1-oxidanyl-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-1-oxidanylidene-3-(3-phenylphenyl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(2S)-5-[[azanyl-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylidene]amino]-1-oxidanyl-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-1-oxidanylidene-3-(3-phenylphenyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-[[(1S)-4-[[amino-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylene]amino]-1-[hydroxy(thiazol-2-yl)methyl]butyl]amino]-2-oxo-1-[(3-phenylphenyl)methyl]ethyl]carbamate CAS Name: N-[(2S)-1-[[(2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-1-hydroxy-1-(2-thiazolyl)pentan-2-yl]amino]-1-oxo-3-(3-phenylphenyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(2S)-5-[[amino-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]methylidene]amino]-1-hydroxy-1-(1,3-thiazol-2-yl)pentan-2-yl]amino]-1-oxo-3-(3-phenylphenyl)propan-2-yl]carbamate Traditional Name: N-[(1S)-2-[[(1S)-4-[[amino-[(4-methoxy-2,3,6-trimethyl-phenyl)sulfonylamino]methylene]amino]-1-[hydroxy(thiazol-2-yl)methyl]butyl]amino]-2-keto-1-(3-phenylbenzyl)ethyl]carbamic acid tert-butyl ester Formula: C39H50N6O7S2 MolecularWeight: 778.9803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCCC(C(C2=NC=CS2)O)NC(=O)C(CC3=CC=CC(=C3)C4=CC=CC=C4)NC(=O)OC(C)(C)C)N)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC(=NCCC[C@@H](C(C2=NC=CS2)O)NC(=O)[C@H](CC3=CC=CC(=C3)C4=CC=CC=C4)NC(=O)OC(C)(C)C)N)C)C)OC

InChI

InChI=1S/C39H50N6O7S2/c1-24-21-32(51-7)25(2)26(3)34(24)54(49,50)45-37(40)42-18-12-17-30(33(46)36-41-19-20-53-36)43-35(47)31(44-38(48)52-39(4,5)6)23-27-13-11-16-29(22-27)28-14-9-8-10-15-28/h8-11,13-16,19-22,30-31,33,46H,12,17-18,23H2,1-7H3,(H,43,47)(H,44,48)(H3,40,42,45)/t30-,31-,33?/m0/s1